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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50056060'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Endothelin-1 receptor


(RAT)		BDBM50056060
PNG
((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,4-dimetho...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc(OC)cc1OC
Show InChI InChI=1S/C30H42N2O6/c1-6-8-16-31(17-9-7-2)27(33)20-32-19-25(24-15-14-23(37-4)18-26(24)38-5)28(30(34)35)29(32)21-10-12-22(36-3)13-11-21/h10-15,18,25,28-29H,6-9,16-17,19-20H2,1-5H3,(H,34,35)/t25-,28-,29+/m1/s1
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Similars
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.

J Med Chem 40: 322-30 (1997)


Article DOI: 10.1021/jm960077r
BindingDB Entry DOI: 10.7270/Q20C4TV2
More data for this
Ligand-Target Pair